LAMMPS (18 Feb 2013)
# NaCl test problem for embedded atom method (EIM) potential

units		metal
atom_style      atomic

boundary	p p p

lattice         diamond 5.0
Lattice spacing in x,y,z = 5 5 5
read_data       data.eim
  orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
  1 by 2 by 2 MPI processor grid
  2000 atoms
  2000 velocities

pair_style      eim
pair_coeff      * * Na Cl ffield.eim Na Cl

neighbor	0.3 bin
neigh_modify	delay 0

timestep        0.001
thermo_style    custom step pe pxx pyy pzz temp
thermo          50

velocity        all create 1400.0 43454 dist gaussian mom yes
fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1

#dump		id all atom 100 dump.eim

#dump		1 all image 25 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	1 pad 3 element Na Cl

run             500
Memory usage per processor = 1.879 Mbytes
Step PotEng Pxx Pyy Pzz Temp 
       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
      50   -5773.8661    889.73924    898.43321     703.5365    891.68472 
     100   -5742.8192     866.6183    817.86837    889.72898    838.77403 
     150    -5738.752   -335.23317   -345.69716    -123.3196    900.54672 
     200   -5704.2444   -172.01932   -508.83888   -654.45947    834.82705 
     250   -5724.4679    375.50199    546.99196    405.29298    966.14585 
     300   -5718.5442    428.47856    361.93998    752.00729    934.57116 
     350   -5722.7694   -409.40162   -484.53168    42.702482    865.13075 
     400   -5743.6862    173.43552    288.02324    107.96614    840.48912 
     450   -5751.3366   -752.54635   -762.07316   -591.45022    743.42176 
     500   -5780.5266   -157.23981    84.510897   -52.426827    712.64129 
Loop time of 1.57123 on 4 procs for 500 steps with 2000 atoms

Pair  time (%) = 1.39484 (88.774)
Neigh time (%) = 0.091349 (5.81387)
Comm  time (%) = 0.0542217 (3.45092)
Outpt time (%) = 0.000287533 (0.0182999)
Other time (%) = 0.0305272 (1.94289)

Nlocal:    500 ave 501 max 498 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Nghost:    2179.25 ave 2182 max 2175 min
Histogram: 1 0 0 0 0 1 0 0 1 1
Neighs:    24884.2 ave 25164 max 24622 min
Histogram: 1 0 0 1 0 1 0 0 0 1

Total # of neighbors = 99537
Ave neighs/atom = 49.7685
Neighbor list builds = 89
Dangerous builds = 10
